Information card for entry 2239182

Structure parameters

• Chemical name: (<i>E</i>)-2-Methyl-3-phenylselanyl-4-(phenylsulfinyl)oct-3-en-2-ol
• Formula: C21 H26 O2 S Se
• Calculated formula: C21 H26 O2 S Se
• SMILES: [Se](/C(=C(S(=O)c1ccccc1)\CCCC)C(O)(C)C)c1ccccc1
• Title of publication: (<i>E</i>)-2-Methyl-3-phenylselanyl-4-(phenylsulfinyl)oct-3-en-2-ol
• Authors of publication: Wu, Jinglan; Chen, Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o8
• a: 12.869 ± 0.003 Å
• b: 19.445 ± 0.004 Å
• c: 8.3702 ± 0.0018 Å
• α: 90°
• β: 100.28 ± 0.004°
• γ: 90°
• Cell volume: 2060.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.2302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes